Recorded 28 October 2025. Clotilde Cucinotta of Imperial College presents "Advancing Ab Initio Molecular Dynamics for Electrified Interfaces" at IPAM's Boundary Conditions for Atomistic Simulations in Macroscopic Electrochemical Cells Workshop. Abstract: In this talk, I will outline the key challenges in simulating electrified interfaces at the nanoscale and demonstrate how I address them by implementing voltage control in ab initio molecular dynamics [1–3]. Focusing on the Pt(111)–water interface, I will present the first direct, atomic-scale observations of this interface under operating conditions, revealing how the applied potential reorganises the interfacial nanostructure, modulates polarisation mechanisms, and alters chemisorption energies [3–5]. I will then show how my methodologies may be applied to predicting kinetic barriers in electrocatalysis, corrosion, and sensing and electromigration in electrochemical junctions. 1. Ahart, C., Chulkov, S. and Cucinotta*, C.S., J. Chem. Theory Comput., 2024 20, 6772. 2. Buraschi, M. Horsfield, A. P., Cucinotta*, C. S., JPCL, 2024, 15(18), 4872. 3. Khatib, R., Kumar, A., Sanvito, S., Sulpizi, M. and Cucinotta*, C. S., Electrochim. Acta, 2021, 391, 138875. 4. Darby, M. T., Cucinotta*, C. S., Curr. Op. Electrochem., 2022, 36, 101118. 5. Raffone, F, Khatib, R; Sulpizi, M. and C. S. Cucinotta*, C. S., Commun. Chem., 2025, 8, Learn more online at: https://www.ipam.ucla.edu/programs/workshops/workshop-iii-boundary-conditions-for-atomistic-simulations-in-macroscopic-electrochemical-cells/